Information card for entry 7241503

Structure parameters

• Common name: work
• Formula: C14 H18 N4 O2
• Calculated formula: C14 H18 N4 O2
• Title of publication: Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism
• Authors of publication: Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 317 - 323
• a: 16.748 ± 0.007 Å
• b: 9.455 ± 0.004 Å
• c: 4.562 ± 0.002 Å
• α: 90°
• β: 100.666 ± 0.008°
• γ: 90°
• Cell volume: 709.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No